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MMsINC code: MMs01372186

Type: Neutral
Formula: C₁₉H₁₆N₂O₅S

SMILES:

S1(=O)(=O)N(CCCCN2C(=O)c3c(cccc3)C2=O)C(=O)c2c1cccc2

InChI:

InChI=1/C19H16N2O5S/c22-17-13-7-1-2-8-14(13)18(23)20(17)11-5-6-12-21-19(24)15-9-3-4-10-16(15)27(21,25)26/h1-4,7-10H,5-6,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.5739 kcal/mol

Physical Properties
Molecular Weight: 384.412 g/mol	logS: -4.5742	SlogP: 1.9075	Reactive groups: 0

Topological Properties
Globularity: 0.0232319	Sterimol/B1: 3.15184	Sterimol/B2: 3.36273	Sterimol/B3: 3.65346
Sterimol/B4: 4.73798	Sterimol/L: 20.1295

Surface and Volume Properties
Accessible surface: 617.848	Positive charged surface: 316.421	Negative charged surface: 301.427	Volume: 330
Hydrophobic surface: 440.072	Hydrophilic surface: 177.776

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.